REMD history file and question

From: Martin, Erik W (
Date: Mon Jul 08 2013 - 10:23:00 CDT

I've tried searching with no success… I'm wondering what the individual columns of the .history file that's written in a replica exchange simulation are. The first seems to be step, second the replica, third the temperature… the fourth I'm confused on.

Also, I'd like a simple way to calculate from these files the percentage of successful exchanges I get. Is there an easy way to do this?


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